2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde

C11H15NO2 — CID 121221931

IUPAC2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde
SMILESCNc1c(C)cc(C)c(OC)c1C=O
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)11(14-4)9(6-13)10(7)12-3/h5-6,12H,1-4H3
InChIKeyFBQQJEHOPDFMFN-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.17
Rot. Bonds3

About 2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde

2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde (PubChem CID 121221931) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde
PubChem CID121221931
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde
SMILESCNc1c(C)cc(C)c(OC)c1C=O
InChIInChI=1S/C11H15NO2/c1-7-5-8(2)11(14-4)9(6-13)10(7)12-3/h5-6,12H,1-4H3
InChIKeyFBQQJEHOPDFMFN-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde?
The IUPAC name of 2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde (CID 121221931) is 2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde.
What is the SMILES notation for 2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde?
The canonical SMILES for 2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde is CNc1c(C)cc(C)c(OC)c1C=O.
What is the InChIKey of 2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde?
The InChIKey is FBQQJEHOPDFMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-5-8(2)11(14-4)9(6-13)10(7)12-3/h5-6,12H,1-4H3.
What are the key properties of 2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde?
2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde has a molecular weight of 193.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,5-dimethyl-6-(methylamino)benzaldehyde is sourced from PubChem (CID 121221931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).